# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-07T08:58:10+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Faraday discussions') AND volume = 260 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1573600","6.5625","0.0004","13.4728","0.0009","14.2734","0.0008","75.183","0.002","78.29","0.002","80.854","0.002","1186.97","0.13","146","2","146.55","","","","","","","","","4","P -1","-P 1","2","","ADP-2AMN","","- C26 H44 N2 O4 -","- C26 H44 N2 O4 -","- C52 H88 N4 O8 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.56086","AgKα","","0.0799","0.0578","","","0.1435","0.1675","","","","","","1.028","","","","has coordinates","302699","2025-10-06","09:58:32",""
"1573601","11.4038","0.0008","12.7819","0.0007","13.6007","0.0008","88.897","0.002","70.005","0.002","65.733","0.002","1681.25","0.18","145","2","145.01","","","","","","","","","4","P -1","-P 1","2","","ADIPIC-2TYRAMINE","","- C33 H48 N3 O9 -","- C33 H48 N3 O9 -","- C66 H96 N6 O18 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.0746","0.0438","","","0.093","0.1086","","","","","","1.012","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573602","10.4623","0.0003","5.916","0.0002","20.1437","0.0006","90","","104.968","0.001","90","","1204.49","0.06","148","2","147.9","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","ADP-2MAFSALT","","- C20 H22 N4 O8 S2 -","- C20 H22 N4 O8 S2 -","- C40 H44 N8 O16 S4 -","2","0.5","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.065","0.054","","","0.1553","0.1671","","","","","","1.036","","","","has coordinates,has disorder","302699","2025-10-06","09:58:33",""
"1573603","5.8262","0.0016","9.25","0.003","24.521","0.007","79.998","0.008","88.376","0.009","80.227","0.009","1282.5","0.7","295.75","","295.75","","","","","","","","","5","P -1","-P 1","2","","C16MAF","","- C23 H40 N2 O6 S -","- C23 H40 N2 O6 S -","- C46 H80 N4 O12 S2 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.1417","0.1055","","","0.2621","0.2829","","","","","","1.108","","","","has coordinates,has disorder","302699","2025-10-06","09:58:33",""
"1573604","21.69","0.03","6.077","0.008","22.48","0.03","90","","90","","90","","2963","7","298.66","","298.66","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H44 N2 O6 -","- C28 H44 N2 O6 -","- C112 H176 N8 O24 -","4","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.1345","0.0682","","","0.1531","0.1884","","","","","","1.046","","","","has coordinates,has disorder","302699","2025-10-06","09:58:33",""
"1573605","6.657","0.004","13.21","0.007","13.286","0.007","106.992","0.008","91.051","0.008","96.242","0.008","1109.2","1.1","273","2","273.15","","","","","","","","","4","P -1","-P 1","2","","ddaamn","","- C22 H39 N O4 -","- C22 H39 N O4 -","- C44 H78 N2 O8 -","2","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.0873","0.0494","","","0.123","0.1445","","","","","","1.037","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573606","6.4847","0.0019","7.741","0.002","16.693","0.005","91.501","0.004","98.704","0.004","108.733","0.004","781.9","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","DDA-2TRYPT","","- C32 H46 N4 O4 -","- C32 H46 N4 O4 -","- C32 H46 N4 O4 -","1","0.5","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.1053","0.0506","","","0.1078","0.1312","","","","","","1","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573607","9.788","0.006","6.098","0.004","21.09","0.014","90","","96.993","0.009","90","","1249.4","1.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ADP-2TRYPTSALT","","- C26 H34 N4 O4 -","- C26 H34 N4 O4 -","- C52 H68 N8 O8 -","2","0.5","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","","0.71073","MoKα","","0.0439","0.0362","","","0.0909","0.0964","","","","","","1.063","","","","has coordinates","302699","2025-10-06","09:58:33",""
"1573608","20.775","0.019","6.448","0.006","21.727","0.019","90","","97.79","0.03","90","","2884","5","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","AZELAIC-2AMN","","- C29 H50 N2 O4 -","- C29 H50 N2 O4 -","- C116 H200 N8 O16 -","4","1","","Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi","Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.","Faraday discussions","2025","260","0","283","309","10.1039/d4fd00154k","","x-ray","0.71073","MoKα","","0.1213","0.0617","","","0.1541","0.186","","","","","","1.009","","","","has coordinates","302699","2025-10-06","09:58:33",""